SCHEMBL21491789

SCHEMBL21491789

N#Cc1ccc(Cn2cc(CN)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
LMNA P02545 2/20 0.36
CYP19A1 P11511 2/20 0.36
MAPT P10636 2/20 0.36
KLKB1 P03952 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
ERCC5 P28715 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RET P07949 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL21492041 0.99 LMNA (0.38) BRD4GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL30744468 0.80 GRM2 (0.36) GABRA1GABRR1GABRA3GABRA2GABRB2
Hydrochloric Acid SCHEMBL21492231 0.80 GRM2 (0.36) GABRA1GABRR1GABRA3GABRA2GABRB2
Hydrochloric Acid SCHEMBL21492793 0.79 LOXL2 (0.53) LMNACYP19A1MAPTKLKB1LOXL2
SCHEMBL2372370 0.79 LOXL2 (0.48) BRD4LOXL2EGLN2
Hydrochloric Acid SCHEMBL3176304 0.78 LOXL2 (0.47) BRD4LOXL2
Hydrochloric Acid SCHEMBL164139 0.78 LOXL2 (0.47) BRD4LOXL2
SCHEMBL30744411 0.78 MAPT (0.55) LMNAMAPTGAAL3MBTL1
SCHEMBL21492681 0.78 MAPT (0.55) LMNAMAPTGAAL3MBTL1
SCHEMBL21492523 0.78 CHRNA7 (0.36) GABRA1GABRR1GABRA3GABRA2GABRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-11-17 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP BRD4 1474/4885GABRA1 3502/4885GABRR1 3473/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP BRD4 1474/4885GABRA1 3502/4885GABRR1 3473/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP BRD4 1474/4885GABRA1 3502/4885GABRR1 3473/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP BRD4 1474/4885GABRA1 3502/4885GABRR1 3473/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP BRD4 1474/4885GABRA1 3502/4885GABRR1 3473/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP BRD4 1474/4885GABRA1 3502/4885GABRR1 3473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.